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CAS 22252-15-9 (E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one molecular structure lightbox
CAS RN: 22252-15-9

(E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-107225
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22252-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

22252-15-9 / (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one

Standard CAS: 22252-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22252-15-9
Multi CAS
No
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey
XUFXKBJMCRJATM-FMIVXFBMSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
72.8
TPSA
26.3

LogP / Solubility

WLOGP
3.59
MLOGP
3.16
XLogP3
3.1
Consensus LogP
3.28
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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